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CHEBI:81077 - Soyasapogenol D

Default Structure
ChEBI IDCHEBI:81077
ChEBI NameSoyasapogenol D
Stars
DownloadsMolfile
FormulaC31H52O3
Net Charge0
Average Mass472.754
Monoisotopic Mass472.39165
SMILES[H][C@]12CCC3=C4CC(C)(C)C[C@@H](OC)[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@]1(C)CO
InChIInChI=1S/C31H52O3/c1-26(2)17-21-20-9-10-23-28(4)13-12-24(33)29(5,19-32)22(28)11-14-31(23,7)30(20,6)16-15-27(21,3)25(18-26)34-8/h22-25,32-33H,9-19H2,1-8H3/t22-,23-,24+,25-,27-,28+,29-,30-,31-/m1/s1
InChIKeyJAQZKPHHLRTVCY-ZHRKTGFNSA-N
ChEBI Ontology
Outgoing Relation(s)
Soyasapogenol D (CHEBI:81077) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C17423KEGG COMPOUND
Registry NumbersSources
CAS:65892-76-4KEGG COMPOUND